[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone

C14H23N5O2S — CID 3232027

IUPAC[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone
SMILESCCSc1nnc(C2CCCN2C(=O)N2CCOCC2)n1C
InChIInChI=1S/C14H23N5O2S/c1-3-22-13-16-15-12(17(13)2)11-5-4-6-19(11)14(20)18-7-9-21-10-8-18/h11H,3-10H2,1-2H3
InChIKeyGROYYAXERKYJMR-UHFFFAOYSA-N
MW325.44 g/mol
LogP1.52
Rot. Bonds3

About [2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone

[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 3232027) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is [2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID3232027
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC Name[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone
SMILESCCSc1nnc(C2CCCN2C(=O)N2CCOCC2)n1C
InChIInChI=1S/C14H23N5O2S/c1-3-22-13-16-15-12(17(13)2)11-5-4-6-19(11)14(20)18-7-9-21-10-8-18/h11H,3-10H2,1-2H3
InChIKeyGROYYAXERKYJMR-UHFFFAOYSA-N
XLogP1.52
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

2-[4-(3-Methoxy-propyl)-5-propyl-4H-[1,2,4]triazol-3-ylsulfanyl]-1-morpholin-4-yl-ethanone
CID 656245
2-[[4-(2-Methoxyethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 3212508
2-[[4-(2-Methoxyethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 3212512
2-[4-(3-Methoxy-propyl)-5-propyl-4H-[1,2,4]triazol-3-ylsulfanyl]-1-(2-methyl-piperidin-1-yl)-ethanone
CID 3212509
2-[5-Isopropyl-4-(2-methoxy-ethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-1-pyrrolidin-1-yl-ethanone
CID 650159
2-[5-Methyl-4-(tetrahydro-furan-2-ylmethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-1-piperidin-1-yl-ethanone
CID 3168438
2-[[4-(Oxolan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone
CID 3212502
1-(2-Methyl-piperidin-1-yl)-2-[5-propyl-4-(tetrahydro-furan-2-ylmethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-ethanone
CID 3212504
1-Morpholin-4-yl-2-[[4-(oxolan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 3212520
N-Cyclohexyl-2-(4-methyl-5-morpholin-4-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 653745
2-(4-Methyl-5-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 1451285
1-(2,6-Dimethyl-piperidin-1-yl)-2-[5-propyl-4-(tetrahydro-furan-2-ylmethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-ethanone
CID 3212513

Frequently Asked Questions

What is the IUPAC name of [2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone (CID 3232027) is [2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone is CCSc1nnc(C2CCCN2C(=O)N2CCOCC2)n1C.
What is the InChIKey of [2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is GROYYAXERKYJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-3-22-13-16-15-12(17(13)2)11-5-4-6-19(11)14(20)18-7-9-21-10-8-18/h11H,3-10H2,1-2H3.
What are the key properties of [2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone?
[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 325.44 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3232027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).